ethane;N-ethenyl-N-methylpropanimidamide;propane

C15H38N2 — CID 142516349

IUPACethane;N-ethenyl-N-methylpropanimidamide;propane
SMILESCC.CC.CC.CCC.[H]/N=C(\CC)N(C)C=C
InChIInChI=1S/C6H12N2.C3H8.3C2H6/c1-4-6(7)8(3)5-2;1-3-2;3*1-2/h5,7H,2,4H2,1,3H3;3H2,1-2H3;3*1-2H3/b7-6+;;;;
InChIKeyIFHDUSYHJJJBHG-MNPOOLNOSA-N
MW246.48 g/mol
LogP5.94
Rot. Bonds2

About ethane;N-ethenyl-N-methylpropanimidamide;propane

ethane;N-ethenyl-N-methylpropanimidamide;propane (PubChem CID 142516349) has the molecular formula C15H38N2 and a molecular weight of 246.48 g/mol. Its IUPAC name is ethane;N-ethenyl-N-methylpropanimidamide;propane.

Molecular Properties

Compound Nameethane;N-ethenyl-N-methylpropanimidamide;propane
PubChem CID142516349
Molecular FormulaC15H38N2
Molecular Weight246.48 g/mol
Exact Mass246.30
IUPAC Nameethane;N-ethenyl-N-methylpropanimidamide;propane
SMILESCC.CC.CC.CCC.[H]/N=C(\CC)N(C)C=C
InChIInChI=1S/C6H12N2.C3H8.3C2H6/c1-4-6(7)8(3)5-2;1-3-2;3*1-2/h5,7H,2,4H2,1,3H3;3H2,1-2H3;3*1-2H3/b7-6+;;;;
InChIKeyIFHDUSYHJJJBHG-MNPOOLNOSA-N
XLogP5.94
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.48
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethenyl-N-methylpropanimidamide;propane?
The IUPAC name of ethane;N-ethenyl-N-methylpropanimidamide;propane (CID 142516349) is ethane;N-ethenyl-N-methylpropanimidamide;propane.
What is the SMILES notation for ethane;N-ethenyl-N-methylpropanimidamide;propane?
The canonical SMILES for ethane;N-ethenyl-N-methylpropanimidamide;propane is CC.CC.CC.CCC.[H]/N=C(\CC)N(C)C=C.
What is the InChIKey of ethane;N-ethenyl-N-methylpropanimidamide;propane?
The InChIKey is IFHDUSYHJJJBHG-MNPOOLNOSA-N. The full InChI is InChI=1S/C6H12N2.C3H8.3C2H6/c1-4-6(7)8(3)5-2;1-3-2;3*1-2/h5,7H,2,4H2,1,3H3;3H2,1-2H3;3*1-2H3/b7-6+;;;;.
What are the key properties of ethane;N-ethenyl-N-methylpropanimidamide;propane?
ethane;N-ethenyl-N-methylpropanimidamide;propane has a molecular weight of 246.48 g/mol, XLogP of 5.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethenyl-N-methylpropanimidamide;propane is sourced from PubChem (CID 142516349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).